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  • #REDIRECT [[DOCK3.8:Pydock3]]
    29 bytes (3 words) - 19:45, 12 September 2022
  • * mv SUBDOCK DOCK3.8/bin = Incorporate the fruits of (1), (2) and (3) into [[DOCK3.8]] repository housing an arsenal of scripts =
    3 KB (491 words) - 21:46, 22 February 2024
  • Prepare a 3D library for docking with '''DOCK3.8''' pipeline in several formats used by popular docking programs: sdf, db2,
    275 bytes (40 words) - 05:29, 9 August 2022
  • [[SUBDOCK_DOCK3.8|How to dock in DOCK3.8]] [[Docking Analysis in DOCK3.8]]
    3 KB (413 words) - 17:06, 8 April 2023
  • The automatic pipeline to run docking is "dockopt", which is part of [[DOCK3.8:Pydock3 | pydock3]]
    1 KB (174 words) - 22:07, 16 September 2022
  • This documentation describes DOCK3.8 v1.0.0 and later versions (circa September 2022)
    923 bytes (140 words) - 23:37, 2 November 2022
  • == compiling dock3.8 ==
    6 KB (948 words) - 17:05, 8 April 2023
  • [[Category:DOCK3.8]]
    2 KB (352 words) - 22:19, 25 March 2021
  • * [[How to dock in DOCK3.8]] * [[Docking Analysis in DOCK3.8]]
    6 KB (844 words) - 17:03, 27 July 2021
  • .... Color and subcluster matching is a new feature that is only available in DOCK3.8 ...ching_spheres.cl.red.sph is the matching sphere file that can be passed to DOCK3.8 and used in the color matching calculation.
    8 KB (878 words) - 20:37, 12 April 2022
  • == Checkpointing & Restartability in DOCK3.8 == == Appendix: Docking mono-cations of ZINC22 with DOCK3.8 on Wynton ==
    16 KB (2,599 words) - 22:28, 1 December 2022